| CAS Number | 90944-01-7 |
| Catalog Number | AG01A7UG |
| Chemical Name | 1-(3,4-Dichlorophenyl)butan-1-amine hydrochloride |
| IUPAC Name | 1-(3,4-dichlorophenyl)butan-1-amine;hydrochloride |
| InChI | InChI=1S/C10H13Cl2N.ClH/c1-2-3-10(13)7-4-5-8(11)9(12)6-7;/h4-6,10H,2-3,13H2,1H3;1H |
| InChI Key | GVPJQUXPUXYTFC-UHFFFAOYSA-N |
| MDL Number | MFCD14705828 |
| Molecular Formula | C10H14Cl3N |
| Molecular Weight | 254.5839 |
| SMILES | CCCC(C1=CC=C(Cl)C(Cl)=C1)N.[H]Cl |
| Synonyms | 1-(3,4-dichlorophenyl)butan-1-amine hydrochloride,
90944-01-7,
AC1Q39OR,
CTK6D3717,
AKOS008124697,
MCULE-9332167629,
NE45114,
EN300-59839,
|
| Complexity | 152 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.579g/mol |
| Monoisotopic Mass | 253.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
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